N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide

C18H14Cl2N2OS — CID 988277

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-2-4-12(5-3-11)17(23)22-18-21-10-15(24-18)9-13-8-14(19)6-7-16(13)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyKKEFHHMXQCJZAV-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.60
Rot. Bonds4

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 988277) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID988277
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1
InChIInChI=1S/C18H14Cl2N2OS/c1-11-2-4-12(5-3-11)17(23)22-18-21-10-15(24-18)9-13-8-14(19)6-7-16(13)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyKKEFHHMXQCJZAV-UHFFFAOYSA-N
XLogP5.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (CID 988277) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is KKEFHHMXQCJZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-11-2-4-12(5-3-11)17(23)22-18-21-10-15(24-18)9-13-8-14(19)6-7-16(13)20/h2-8,10H,9H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 988277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).